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NCID-ZINC04945815

 MMsINC code: MMs02417547
Type: Neutral
Formula: C19H27NO6
SMILES:   O(Cc1ccccc1)CCC(NC(=O)CC(OCC)=O)(C(OCC)=O)C
InChI:   InChI=1/C19H27NO6/c1-4-25-17(22)13-16(21)20-19(3,18(23)26-5-2)11-12-24-14-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,20,21)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=75.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.426 g/mol  logS: -3.55531  SlogP: 2.2509  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.052713  Sterimol/B1: 2.52043  Sterimol/B2: 3.04546  Sterimol/B3: 4.89525
  Sterimol/B4: 7.91374  Sterimol/L: 21.6182 
 
 Surface and Volume Properties
  Accessible surface: 704.307  Positive charged surface: 478.948  Negative charged surface: 225.359  Volume: 361.125
  Hydrophobic surface: 553.038  Hydrophilic surface: 151.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.